| SpectraBase Spectrum ID |
9FXRDhCNtKC |
| Name |
Cholestane, 3-(methoxymethoxy)-, (3.beta.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.396730912 u |
| Formula |
C29H52O2 |
| InChI |
InChI=1S/C29H52O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-22-18-23(31-19-30-6)14-16-28(22,4)27(24)15-17-29(25,26)5/h20-27H,7-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey |
GEASSRHRPWOXPW-XWEDIQBQSA-N |
| Molecular Weight |
432.733 g/mol |
| SMILES |
C[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])[H])(CC[C@]2(C[C@](CC1)(OCOC)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918238 |
